1.0 2019-08-07 19:55:48 UTC 2020-04-06 23:39:26 UTC FDB034852 4-Vinylphenol sulfate C8H8O4S 200.21 200.014329912 (4-ethenylphenyl)oxidanesulfonic acid (4-ethenylphenyl)oxidanesulfonic acid OS(=O)(=O)OC1=CC=C(C=C)C=C1 InChI=1S/C8H8O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h2-6H,1H2,(H,9,10,11) IETVQHUKTKKBFF-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Phenylsulfates Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Aromatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Phenoxy compounds Styrenes Sulfuric acid monoesters Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenoxy compound Phenylsulfate Styrene Sulfate-ester Sulfuric acid ester Sulfuric acid monoester aryl sulfate styrenes logp -0.37 ALOGPS logs -2.36 ALOGPS solubility 8.67e-01 g/l ALOGPS logp 1.93 ChemAxon pka_strongest_acidic -2 ChemAxon iupac (4-ethenylphenyl)oxidanesulfonic acid ChemAxon average_mass 200.21 ChemAxon mono_mass 200.014329912 ChemAxon smiles OS(=O)(=O)OC1=CC=C(C=C)C=C1 ChemAxon formula C8H8O4S ChemAxon inchi InChI=1S/C8H8O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h2-6H,1H2,(H,9,10,11) ChemAxon inchikey IETVQHUKTKKBFF-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 47.72 ChemAxon polarizability 18.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 36810 Specdb::CMs 148522 Specdb::MsIr 10589 Specdb::MsIr 10590 Specdb::MsIr 10591 Specdb::MsMs 917062 Specdb::MsMs 917063 Specdb::MsMs 917064 Specdb::MsMs 965878 Specdb::MsMs 965879 Specdb::MsMs 965880 Specdb::MsMs 2680434 Specdb::MsMs 2680435 Specdb::MsMs 2680436 Specdb::MsMs 3025443 Specdb::MsMs 3025444 Specdb::MsMs 3025445 Specdb::NmrOneD 69572 Specdb::NmrOneD 69573 Specdb::NmrOneD 69574 Specdb::NmrOneD 69575 Specdb::NmrOneD 69576 Specdb::NmrOneD 69577 Specdb::NmrOneD 69578 Specdb::NmrOneD 69579 Specdb::NmrOneD 69580 Specdb::NmrOneD 69581 Specdb::NmrOneD 69582 Specdb::NmrOneD 69583 Specdb::NmrOneD 69584 Specdb::NmrOneD 69585 Specdb::NmrOneD 69586 Specdb::NmrOneD 69587 Specdb::NmrOneD 69588 Specdb::NmrOneD 69589 Specdb::NmrOneD 69590 Specdb::NmrOneD 69591 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823